2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone

C16H14FNOS — CID 62509753

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C16H14FNOS/c1-11-6-7-13(17)12(10-11)16(19)18-8-9-20-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeySLLIMEFHYFEQLA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.89
Rot. Bonds1

About 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone

2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone (PubChem CID 62509753) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone
PubChem CID62509753
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C16H14FNOS/c1-11-6-7-13(17)12(10-11)16(19)18-8-9-20-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeySLLIMEFHYFEQLA-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone (CID 62509753) is 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2CCSc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is SLLIMEFHYFEQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-11-6-7-13(17)12(10-11)16(19)18-8-9-20-15-5-3-2-4-14(15)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 287.36 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 62509753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).